Information card for entry 4313934

Structure parameters

• Formula: C32 H69 La4 N13 O26
• Calculated formula: C32 H67 La4 N13 O26
• SMILES: [La]12345([O]6[La]789%10%11([O]1%12[La]1%13%14%15%16([O]2CC[N]2%13CC[N]%14(CCO)CC[N]%15(CC[O]1%10)CC[N]%16(CC%12)CC2)[O]57)(ON(=[O]8)=O)ON(=[O]9)=O)([O](CC[N]12CC[N]5(CC[O]7%11)CC[N]8(CCO)CC[N]9(CCO)CC1)[La]256789)(ON(=[O]3)=O)ON(=[O]4)=O.O=N(=O)[O-].O
• Title of publication: Formation of Two Diverse Classes of Poly(amino-alkoxide) Chelates and Their Mononuclear and Polynuclear Lanthanide(III) Complexes
• Authors of publication: Marlon K. Thompson; Alan J. Lough; Andrew J. P. White; David J. Williams; Ishenkumba A. Kahwa
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 4828 - 4841
• a: 19.9955 ± 0.0005 Å
• b: 14.3228 ± 0.0003 Å
• c: 20.2977 ± 0.0005 Å
• α: 90°
• β: 93.669 ± 0.003°
• γ: 90°
• Cell volume: 5801.2 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0764
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No